1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine

C12H13BrN2S2 — CID 79823615

IUPAC1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1nccs1
InChIInChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)17-8-9(14)7-12-15-5-6-16-12/h1-6,9H,7-8,14H2
InChIKeyHIOJKJJUXLKIKX-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79823615) has the molecular formula C12H13BrN2S2 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79823615
Molecular FormulaC12H13BrN2S2
Molecular Weight329.29 g/mol
Exact Mass327.97
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1nccs1
InChIInChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)17-8-9(14)7-12-15-5-6-16-12/h1-6,9H,7-8,14H2
InChIKeyHIOJKJJUXLKIKX-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
CID 82922352
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-amine
CID 66143092
3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
CID 66145426
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229156
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79823615) is 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine is NC(CSc1ccccc1Br)Cc1nccs1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is HIOJKJJUXLKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)17-8-9(14)7-12-15-5-6-16-12/h1-6,9H,7-8,14H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 329.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79823615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).